[4-(benzenesulfonamido)-3,5-dimethoxyphenyl] N-methylcarbamate

C16H18N2O6S — CID 21409256

IUPAC[4-(benzenesulfonamido)-3,5-dimethoxyphenyl] N-methylcarbamate
SMILESCNC(=O)Oc1cc(OC)c(NS(=O)(=O)c2ccccc2)c(OC)c1
InChIInChI=1S/C16H18N2O6S/c1-17-16(19)24-11-9-13(22-2)15(14(10-11)23-3)18-25(20,21)12-7-5-4-6-8-12/h4-10,18H,1-3H3,(H,17,19)
InChIKeyQVMBRXGYGXKUHL-UHFFFAOYSA-N
MW366.40 g/mol
LogP2.22
Rot. Bonds6

About [4-(benzenesulfonamido)-3,5-dimethoxyphenyl] N-methylcarbamate

[4-(benzenesulfonamido)-3,5-dimethoxyphenyl] N-methylcarbamate (PubChem CID 21409256) has the molecular formula C16H18N2O6S and a molecular weight of 366.40 g/mol. Its IUPAC name is [4-(benzenesulfonamido)-3,5-dimethoxyphenyl] N-methylcarbamate.

Molecular Properties

Compound Name[4-(benzenesulfonamido)-3,5-dimethoxyphenyl] N-methylcarbamate
PubChem CID21409256
Molecular FormulaC16H18N2O6S
Molecular Weight366.40 g/mol
Exact Mass366.09
IUPAC Name[4-(benzenesulfonamido)-3,5-dimethoxyphenyl] N-methylcarbamate
SMILESCNC(=O)Oc1cc(OC)c(NS(=O)(=O)c2ccccc2)c(OC)c1
InChIInChI=1S/C16H18N2O6S/c1-17-16(19)24-11-9-13(22-2)15(14(10-11)23-3)18-25(20,21)12-7-5-4-6-8-12/h4-10,18H,1-3H3,(H,17,19)
InChIKeyQVMBRXGYGXKUHL-UHFFFAOYSA-N
XLogP2.22
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(benzenesulfonamido)-3,5-dimethoxyphenyl] N-methylcarbamate?
The IUPAC name of [4-(benzenesulfonamido)-3,5-dimethoxyphenyl] N-methylcarbamate (CID 21409256) is [4-(benzenesulfonamido)-3,5-dimethoxyphenyl] N-methylcarbamate.
What is the SMILES notation for [4-(benzenesulfonamido)-3,5-dimethoxyphenyl] N-methylcarbamate?
The canonical SMILES for [4-(benzenesulfonamido)-3,5-dimethoxyphenyl] N-methylcarbamate is CNC(=O)Oc1cc(OC)c(NS(=O)(=O)c2ccccc2)c(OC)c1.
What is the InChIKey of [4-(benzenesulfonamido)-3,5-dimethoxyphenyl] N-methylcarbamate?
The InChIKey is QVMBRXGYGXKUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O6S/c1-17-16(19)24-11-9-13(22-2)15(14(10-11)23-3)18-25(20,21)12-7-5-4-6-8-12/h4-10,18H,1-3H3,(H,17,19).
What are the key properties of [4-(benzenesulfonamido)-3,5-dimethoxyphenyl] N-methylcarbamate?
[4-(benzenesulfonamido)-3,5-dimethoxyphenyl] N-methylcarbamate has a molecular weight of 366.40 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzenesulfonamido)-3,5-dimethoxyphenyl] N-methylcarbamate is sourced from PubChem (CID 21409256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).